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Home > Encyclopedia > 1-(4,5-Dichloro-2-thienyl)ethanone

1-(4,5-Dichloro-2-thienyl)ethanone

1-(4,5-Dichloro-2-thienyl)ethanone structure

1-(4,5-Dichloro-2-thienyl)ethanone 

structure
  • CAS No:

    57681-59-1

  • Formula:

    C6H4Cl2OS

  • Chemical Name:

    1-(4,5-Dichloro-2-thienyl)ethanone

  • Synonyms:

    Ethanone,1-(4,5-dichloro-2-thienyl)-;Ketone,4,5-dichloro-2-thienyl methyl;1-(4,5-Dichloro-2-thienyl)ethanone;2-Acetyl-4,5-dichlorothiophene;4,5-Dichloro-2-acetylthiophene;1-(4,5-Dichlorothiophen-2-yl)ethanone

1-(4,5-Dichloro-2-thienyl)ethanone Basic Attributes

195.07

195.07

DTXSID60206384

2934999090

Characteristics

45.3

3.2

1.452g/cm3

68 °C

300.8°C at 760 mmHg

135.7ºC

1.575

Safety Information

36/37/38

26-36/37/39

1-(4,5-Dichloro-2-thienyl)ethanone Use and Manufacturing

n-Butyl lithium (2.51 g, 39.2 mmol, 24.5 mL) was added dropwise to a stirring solution of diisopropylamine (3.97 g, 39.2 mmol, 5.54 mL) in tetrahydrofuran (5 mL) at -78 °C and stirred for 45 min to generate lithium diisopropylamine (LDA) in situ. 2, 3-Dichlorothiophene (5 g, 32.7 mmol) dissolved in tetrahydrofuran (5 mL) was added dropwise and the mixture was stirred at -78 °C for 30 min. Dimethylformamide (3.41 g, 39.2 mmol, 3.64 mL) dissolved in tetrahydrofuran (5 mL) was added dropwise and the mixture was stirred at -78

Computed Properties

Molecular Weight:195.07
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:193.9359913
Monoisotopic Mass:193.9359913
Topological Polar Surface Area:45.3
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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